prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-(1H-pyrazol-5-yl)ethyl]pyrrolidine-1-carboxylate

C19H33N3O3Si — CID 54277593

IUPACprop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-(1H-pyrazol-5-yl)ethyl]pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1C(C)c1ccn[nH]1
InChIInChI=1S/C19H33N3O3Si/c1-8-11-24-18(23)22-13-15(25-26(6,7)19(3,4)5)12-17(22)14(2)16-9-10-20-21-16/h8-10,14-15,17H,1,11-13H2,2-7H3,(H,20,21)/t14?,15-,17-/m1/s1
InChIKeyROMQXAUXZAPOHO-HOSQGPGDSA-N
MW379.58 g/mol
LogP4.30
Rot. Bonds6

About prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-(1H-pyrazol-5-yl)ethyl]pyrrolidine-1-carboxylate

prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-(1H-pyrazol-5-yl)ethyl]pyrrolidine-1-carboxylate (PubChem CID 54277593) has the molecular formula C19H33N3O3Si and a molecular weight of 379.58 g/mol. Its IUPAC name is prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-(1H-pyrazol-5-yl)ethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-(1H-pyrazol-5-yl)ethyl]pyrrolidine-1-carboxylate
PubChem CID54277593
Molecular FormulaC19H33N3O3Si
Molecular Weight379.58 g/mol
Exact Mass379.23
IUPAC Nameprop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-(1H-pyrazol-5-yl)ethyl]pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1C(C)c1ccn[nH]1
InChIInChI=1S/C19H33N3O3Si/c1-8-11-24-18(23)22-13-15(25-26(6,7)19(3,4)5)12-17(22)14(2)16-9-10-20-21-16/h8-10,14-15,17H,1,11-13H2,2-7H3,(H,20,21)/t14?,15-,17-/m1/s1
InChIKeyROMQXAUXZAPOHO-HOSQGPGDSA-N
XLogP4.30
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.58
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-(1H-pyrazol-5-yl)ethyl]pyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-(1H-pyrazol-5-yl)ethyl]pyrrolidine-1-carboxylate (CID 54277593) is prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-(1H-pyrazol-5-yl)ethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-(1H-pyrazol-5-yl)ethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-(1H-pyrazol-5-yl)ethyl]pyrrolidine-1-carboxylate is C=CCOC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1C(C)c1ccn[nH]1.
What is the InChIKey of prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-(1H-pyrazol-5-yl)ethyl]pyrrolidine-1-carboxylate?
The InChIKey is ROMQXAUXZAPOHO-HOSQGPGDSA-N. The full InChI is InChI=1S/C19H33N3O3Si/c1-8-11-24-18(23)22-13-15(25-26(6,7)19(3,4)5)12-17(22)14(2)16-9-10-20-21-16/h8-10,14-15,17H,1,11-13H2,2-7H3,(H,20,21)/t14?,15-,17-/m1/s1.
What are the key properties of prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-(1H-pyrazol-5-yl)ethyl]pyrrolidine-1-carboxylate?
prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-(1H-pyrazol-5-yl)ethyl]pyrrolidine-1-carboxylate has a molecular weight of 379.58 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-(1H-pyrazol-5-yl)ethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 54277593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).